4-oxidanylidene-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-piperidino-5-(trifluoromethyl)phenyl]-3H-phthalazine-1-carboxamide Formula: C21H19F3N4O2 MolecularWeight: 416.39637

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H19F3N4O2/c22-21(23,24)13-8-9-17(28-10-4-1-5-11-28)16(12-13)25-20(30)18-14-6-2-3-7-15(14)19(29)27-26-18/h2-3,6-9,12H,1,4-5,10-11H2,(H,25,30)(H,27,29)